[CP2K-user] Write GTH psedopotential to UPF format using ATOM

Mohammad Shakiba mshakiba.... at gmail.com
Wed Jul 10 19:50:51 UTC 2019

Hello everyone,

I wanted to use the GTH pseudo potential in Quantum espresso and I used 
ATOM compiled with CP2K. However, it does not write the UPF file for me. 
Can anyone help me in this regard? Thanks in advance.

My input is the same as in 
https://github.com/juerghutter/GTH/tree/master/PBE/Cd/q12 plus the 
'&UPF_FILE' as follows:


but it does not write the UPF file.

By the way if I cannot generate the UPF file is there anyway to use a UPF 
file in CP2K? Or is there any software I can use to convert GTH 
pseudopotential to UPF format? 
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